SCHEMBL6037982

SCHEMBL6037982

COc1ccc(S(=O)(=O)Nc2ccc(CCCNC(=O)COCc3ccc(F)cc3)cc2)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.50
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 4/20 0.48
LMNA P02545 3/20 0.48
MEN1 O00255 3/20 0.48
MAPT P10636 1/20 0.48
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
MAPK1 P28482 2/20 0.46
ALOX15 P16050 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6037941 0.95 ALDH1A1 (0.49) HDAC1ALDH1A1KMT2ALMNAMEN1
SCHEMBL5280811 0.92 ALDH1A1 (0.48) HDAC1ALDH1A1KMT2ALMNAMEN1
SCHEMBL6038100 0.91 SMN1; SMN2 (0.52) HDAC1ALDH1A1KMT2ALMNAMEN1
SCHEMBL6037969 0.90 MTNR1A (0.47) HDAC1ALDH1A1KMT2ALMNAMEN1
SCHEMBL5280023 0.90 FFAR1 (0.46) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL6038148 0.89 ALDH1A1 (0.53) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL6038161 0.88 FFAR1 (0.53) ALDH1A1KMT2ALMNAMEN1FFAR1
SCHEMBL5277245 0.88 FFAR1 (0.53) ALDH1A1KMT2ALMNAMEN1FFAR1
SCHEMBL5339191 0.88 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1HTTMAPK1
SCHEMBL6038022 0.88 FFAR1 (0.46) ALDH1A1KMT2ALMNAMEN1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US claimed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 HDAC1 1/4885ALDH1A1 781/4885KMT2A 30/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.